3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide

C22H29N3O2 — CID 119682383

IUPAC3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-14-25(15-20(26)24-19-13-9-8-10-16(19)2)22(27)17(3)21(23)18-11-6-5-7-12-18/h5-13,17,21H,4,14-15,23H2,1-3H3,(H,24,26)
InChIKeyWIDOQECTTVPDIK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.51
Rot. Bonds8

About 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide

3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide (PubChem CID 119682383) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
PubChem CID119682383
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-14-25(15-20(26)24-19-13-9-8-10-16(19)2)22(27)17(3)21(23)18-11-6-5-7-12-18/h5-13,17,21H,4,14-15,23H2,1-3H3,(H,24,26)
InChIKeyWIDOQECTTVPDIK-UHFFFAOYSA-N
XLogP3.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
CID 119741246
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
CID 119680720
N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51143508
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
CID 81491089
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
N-[2-(2-methylanilino)-2-oxoethyl]-2-[1-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112801015
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide (CID 119682383) is 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
The InChIKey is WIDOQECTTVPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-14-25(15-20(26)24-19-13-9-8-10-16(19)2)22(27)17(3)21(23)18-11-6-5-7-12-18/h5-13,17,21H,4,14-15,23H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide?
3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 119682383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).